SCHEMBL31183501

SCHEMBL31183501

Cc1cc([C@@H](C)Nc2ccc(Cl)nc2C(=O)O)c2nc(N3CCOCC3)c(C)nc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 15/20 0.51
▸ AKT1 P31749 2/20 0.48
▸ AKT2 P31751 2/20 0.48
▸ AKT3 Q9Y243 2/20 0.48
▸ PIK3CB P42338 7/20 0.43
▸ PIK3CD O00329 2/20 0.41
▸ PIK3CG P48736 2/20 0.41
▸ SRC P12931 1/20 0.41
▸ DDX6 P26196 1/20 0.41
▸ PDE4A P27815 1/20 0.41
▸ CSK P41240 1/20 0.41
▸ MTOR P42345 1/20 0.41
▸ PLK1 P53350 1/20 0.41
▸ PRKDC P78527 1/20 0.41
▸ PDE4B Q07343 1/20 0.41
▸ PDE4C Q08493 1/20 0.41
▸ PDE4D Q08499 1/20 0.41
▸ AURKB Q96GD4 1/20 0.41
▸ PI4KB Q9UBF8 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31183798 0.90 PIK3CA (0.48) PIK3CAAKT1AKT2AKT3PIK3CB
SCHEMBL31183667 0.90 AKT1 (0.52) PIK3CAAKT1AKT2AKT3PIK3CB
SCHEMBL31183483 0.90 AKT1 (0.52) PIK3CAAKT1AKT2AKT3PIK3CB
SCHEMBL31183358 0.89 AKT1 (0.60) PIK3CAAKT1AKT2AKT3
SCHEMBL31183615 0.89 AKT1 (0.60) PIK3CAAKT1AKT2AKT3
SCHEMBL31183861 0.87 AKT1 (0.49) PIK3CAAKT1AKT2AKT3PIK3CB
SCHEMBL31183335 0.86 PIK3CA (0.53) PIK3CAAKT1AKT2AKT3PIK3CB
SCHEMBL30808184 0.83 PIK3CA (0.59) PIK3CAAKT1AKT2AKT3PIK3CB
SCHEMBL30808191 0.83 PIK3CA (0.59) PIK3CAAKT1AKT2AKT3PIK3CB
SCHEMBL30808189 0.83 PIK3CA (0.59) PIK3CAAKT1AKT2AKT3PIK3CB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240391882-A1 Substituted Quinoxalines Mirati Therapeutics, Inc. 2024-11-28 — — US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20240391882-A1 Substituted Quinoxalines NQO2, NQO1, NDUFV3 PIK3CA 2834/4885AKT1 3240/4885AKT2 3609/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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